6NEU

FAD-dependent monooxygenase TropB from T. stipitatus R206Q variant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-04-09
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.033
Spacegroup name	C 2 2 21
Unit cell lengths	70.801, 184.173, 163.520
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.910 - 2.300
R-factor	0.1931
Rwork	0.191
R-free	0.25080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6nes
RMSD bond length	0.012
RMSD bond angle	1.212
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.910	2.382
High resolution limit [Å]	2.300	2.300
Rmerge	0.192	1.480
Number of reflections	47799
<I/σ(I)>	1.45
Completeness [%]	99.7
Redundancy	12.9
CC(1/2)	0.998	0.735

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.8	293.15	1.11 M ammonium tartrate dibasic, 6% hexanediol